2-bromo-N-(2-methyl-1-phenylpropyl)benzamide

C17H18BrNO — CID 2936259

IUPAC2-bromo-N-(2-methyl-1-phenylpropyl)benzamide
SMILESCC(C)C(NC(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-12(2)16(13-8-4-3-5-9-13)19-17(20)14-10-6-7-11-15(14)18/h3-12,16H,1-2H3,(H,19,20)
InChIKeyRPZJTONLJNQUDK-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.58
Rot. Bonds4

About 2-bromo-N-(2-methyl-1-phenylpropyl)benzamide

2-bromo-N-(2-methyl-1-phenylpropyl)benzamide (PubChem CID 2936259) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-1-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-1-phenylpropyl)benzamide
PubChem CID2936259
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-bromo-N-(2-methyl-1-phenylpropyl)benzamide
SMILESCC(C)C(NC(=O)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-12(2)16(13-8-4-3-5-9-13)19-17(20)14-10-6-7-11-15(14)18/h3-12,16H,1-2H3,(H,19,20)
InChIKeyRPZJTONLJNQUDK-UHFFFAOYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-1-phenylpropyl)benzamide?
The IUPAC name of 2-bromo-N-(2-methyl-1-phenylpropyl)benzamide (CID 2936259) is 2-bromo-N-(2-methyl-1-phenylpropyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-1-phenylpropyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methyl-1-phenylpropyl)benzamide is CC(C)C(NC(=O)c1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-(2-methyl-1-phenylpropyl)benzamide?
The InChIKey is RPZJTONLJNQUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12(2)16(13-8-4-3-5-9-13)19-17(20)14-10-6-7-11-15(14)18/h3-12,16H,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(2-methyl-1-phenylpropyl)benzamide?
2-bromo-N-(2-methyl-1-phenylpropyl)benzamide has a molecular weight of 332.24 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-1-phenylpropyl)benzamide is sourced from PubChem (CID 2936259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).